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	hartrees
Energy at 0K	-303.071005
Energy at 298.15K	-303.081278
HF Energy	-302.066534
Nuclear repulsion energy	248.588159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3475	33.10
2	A	3259	3036	12.37
3	A	3216	2996	9.98
4	A	3131	2917	5.88
5	A	1837	1711	331.74
6	A	1580	1472	16.39
7	A	1547	1441	0.99
8	A	1533	1428	9.43
9	A	1507	1404	3.99
10	A	1243	1158	0.16
11	A	1217	1134	0.93
12	A	1179	1098	6.64
13	A	956	891	1.03
14	A	562	524	110.00
15	A	451	420	48.37
16	A	227	211	4.90
17	A	196	183	0.47
18	A	121	113	0.46
19	B	3728	3473	12.43
20	B	3259	3036	7.14
21	B	3216	2996	44.21
22	B	3130	2916	95.83
23	B	1620	1509	430.44
24	B	1567	1460	3.68
25	B	1542	1437	51.29
26	B	1511	1407	7.52
27	B	1318	1228	204.09
28	B	1196	1114	20.32
29	B	1181	1100	9.38
30	B	1078	1004	1.56
31	B	785	731	30.61
32	B	752	700	27.28
33	B	511	476	117.81
34	B	325	302	43.25
35	B	138	129	0.79
36	B	127	118	8.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.085
O2	0.000	0.000	1.308
N3	0.000	1.160	-0.667
N4	0.000	-1.160	-0.667
C5	-0.236	2.419	0.026
C6	0.236	-2.419	0.026
H7	-0.425	1.078	-1.575
H8	0.425	-1.078	-1.575
H9	-0.081	3.231	-0.679
H10	0.081	-3.231	-0.679
H11	0.477	2.513	0.837
H12	-0.477	-2.513	0.837
H13	-1.241	2.484	0.442
H14	1.241	-2.484	0.442

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2228	1.3821	1.3821	2.4313	2.4313	2.0245	2.0245	3.3207	3.3207	2.6662	2.6662	2.7999	2.7999
O2	1.2228		2.2902	2.2902	2.7481	2.7481	3.1070	3.1070	3.7937	3.7937	2.6010	2.6010	2.9089	2.9089
N3	1.3821	2.2902		2.3192	1.4566	3.6527	1.0057	2.4522	2.0725	4.3909	2.0788	3.9973	2.1272	4.0060
N4	1.3821	2.2902	2.3192		3.6527	1.4566	2.4522	1.0057	4.3909	2.0725	3.9973	2.0788	4.0060	2.1272
C5	2.4313	2.7481	1.4566	3.6527		4.8611	2.0962	3.9026	1.0859	5.7022	1.0840	5.0044	1.0900	5.1379
C6	2.4313	2.7481	3.6527	1.4566	4.8611		3.9026	2.0962	5.7022	1.0859	5.0044	1.0840	5.1379	1.0900
H7	2.0245	3.1070	1.0057	2.4522	2.0962	3.9026		2.3185	2.3563	4.4299	2.9477	4.3264	2.5902	4.4201
H8	2.0245	3.1070	2.4522	1.0057	3.9026	2.0962	2.3185		4.4299	2.3563	4.3264	2.9477	4.4201	2.5902
H9	3.3207	3.7937	2.0725	4.3909	1.0859	5.7022	2.3563	4.4299		6.4630	1.7676	5.9537	1.7778	5.9719
H10	3.3207	3.7937	4.3909	2.0725	5.7022	1.0859	4.4299	2.3563	6.4630		5.9537	1.7676	5.9719	1.7778
H11	2.6662	2.6010	2.0788	3.9973	1.0840	5.0044	2.9477	4.3264	1.7676	5.9537		5.1161	1.7629	5.0710
H12	2.6662	2.6010	3.9973	2.0788	5.0044	1.0840	4.3264	2.9477	5.9537	1.7676	5.1161		5.0710	1.7629
H13	2.7999	2.9089	2.1272	4.0060	1.0900	5.1379	2.5902	4.4201	1.7778	5.9719	1.7629	5.0710		5.5541
H14	2.7999	2.9089	4.0060	2.1272	5.1379	1.0900	4.4201	2.5902	5.9719	1.7778	5.0710	1.7629	5.5541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.823	C1	N3	H7	115.049
C1	N4	C6	117.823	C1	N4	H8	115.049
O2	C1	N3	122.968	O2	C1	N4	122.968
N3	C1	N4	114.064	N3	C5	H9	108.324
N3	C5	H11	108.938	N3	C5	H13	112.501
N4	C6	H10	108.324	N4	C6	H12	108.938
N4	C6	H14	112.501	C5	N3	H7	115.499
C6	N4	H8	115.499	H9	C5	H11	109.089
H9	C5	H13	109.573	H10	C6	H12	109.089
H10	C6	H14	109.573	H11	C5	H13	108.365
H12	C6	H14	108.365

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)